ethyl 2-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4-cyclopropyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoylamino]-4-cyclopropyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-cyclopropyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-1-oxoethyl]amino]-4-cyclopropyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-4-cyclopropylthiophene-3-carboxylate Traditional Name: 2-[[2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]acetyl]amino]-4-cyclopropyl-thiophene-3-carboxylic acid ethyl ester Formula: C14H17N5O3S2 MolecularWeight: 367.44648

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)CSC3=NNC(=N3)N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2CC2)NC(=O)CSC3=NNC(=N3)N

InChI

InChI=1S/C14H17N5O3S2/c1-2-22-12(21)10-8(7-3-4-7)5-23-11(10)16-9(20)6-24-14-17-13(15)18-19-14/h5,7H,2-4,6H2,1H3,(H,16,20)(H3,15,17,18,19)